4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

C14H21N3O3S — CID 126821603

IUPAC4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@H]2C2CCC2)cn1C
InChIInChI=1S/C14H21N3O3S/c1-15-14(18)13-6-10(8-17(13)2)21(19,20)16-12-7-11(12)9-4-3-5-9/h6,8-9,11-12,16H,3-5,7H2,1-2H3,(H,15,18)/t11-,12+/m0/s1
InChIKeyFBCKFRHVOUFYFH-NWDGAFQWSA-N
MW311.41 g/mol
LogP0.85
Rot. Bonds5

About 4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 126821603) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID126821603
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@H]2C2CCC2)cn1C
InChIInChI=1S/C14H21N3O3S/c1-15-14(18)13-6-10(8-17(13)2)21(19,20)16-12-7-11(12)9-4-3-5-9/h6,8-9,11-12,16H,3-5,7H2,1-2H3,(H,15,18)/t11-,12+/m0/s1
InChIKeyFBCKFRHVOUFYFH-NWDGAFQWSA-N
XLogP0.85
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-aminocyclohexyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 79114557
N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide
CID 62541291
1-methyl-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 80714476
4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 63298942
4-[(1-hydroxycyclobutyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115753892
4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 65188824
N-cyclopentyl-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34366355
1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid
CID 81165438
4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 43605489
1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide
CID 56808378
4-[(1-aminocycloheptyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 119998679
N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide
CID 43362225

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (CID 126821603) is 4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@H]2C2CCC2)cn1C.
What is the InChIKey of 4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is FBCKFRHVOUFYFH-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-15-14(18)13-6-10(8-17(13)2)21(19,20)16-12-7-11(12)9-4-3-5-9/h6,8-9,11-12,16H,3-5,7H2,1-2H3,(H,15,18)/t11-,12+/m0/s1.
What are the key properties of 4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 126821603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).